4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 61186309

IUPAC4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C16H28N2O3/c1-5-13-7-9-16(10-8-13,14(19)20)17-15(21)18(6-2)11-12(3)4/h13H,3,5-11H2,1-2,4H3,(H,17,21)(H,19,20)
InChIKeyLTNDXDMXLYEJKH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.02
Rot. Bonds6

About 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61186309) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61186309
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)NC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C16H28N2O3/c1-5-13-7-9-16(10-8-13,14(19)20)17-15(21)18(6-2)11-12(3)4/h13H,3,5-11H2,1-2,4H3,(H,17,21)(H,19,20)
InChIKeyLTNDXDMXLYEJKH-UHFFFAOYSA-N
XLogP3.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[bis(prop-2-enyl)carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61192726
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 63954830
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
1-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61449694
1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61187593
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61186309) is 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is C=C(C)CN(CC)C(=O)NC1(C(=O)O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LTNDXDMXLYEJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-13-7-9-16(10-8-13,14(19)20)17-15(21)18(6-2)11-12(3)4/h13H,3,5-11H2,1-2,4H3,(H,17,21)(H,19,20).
What are the key properties of 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61186309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).